Sugi Predict

Sugi Predict / Compounds / SCHEMBL347220

SCHEMBL347220

SCHEMBL347220

CCOC(=O)Cc1ccc(OC)c(Oc2ccc([N+](=O)[O-])cc2C(S)c2nnc(C)s2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 6/20 0.40
▸ HTT P42858 2/20 0.40
▸ PDE4B Q07343 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ TTR P02766 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ ALDH1A1 P00352 5/20 0.38
▸ MAPT P10636 4/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ CASP6 P55212 1/20 0.38
▸ CTDSP1 Q9GZU7 1/20 0.38
▸ THRB P10828 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL349880 0.86 LMNA (0.39) LMNAKDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL348213 0.80 LMNA (0.44) LMNAHTTMEN1KMT2AALDH1A1
SCHEMBL347221 0.79 LCK (0.54) LMNAHTTMEN1KMT2AKDM4E
SCHEMBL13521899 0.78 HTT (0.47) LMNAHTTPDE4BPDE4DMEN1
SCHEMBL348004 0.76 TTR (0.53) LMNAHTTPDE4BPDE4DMEN1
SCHEMBL347026 0.76 HTT (0.47) LMNAHTTPDE4BPDE4DMEN1
SCHEMBL347720 0.76 HTT (0.47) LMNAHTTPDE4BPDE4DMEN1
SCHEMBL350012 0.74 HTT (0.44) LMNAHTTPDE4BPDE4DMEN1
SCHEMBL1007888 0.73 HTT (0.47) LMNAHTTMEN1KMT2ATTR
SCHEMBL347672 0.73 CYP3A4 (0.53) LMNAHTTMEN1KMT2ATTR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8247602-B2 Antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2012-08-21 — — US disclosed
US-20120016029-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PANMIRA PHARMACEUTICALS, LLC (US) 2012-01-19 — — US disclosed
US-8071807-B2 Antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2011-12-06 — — US disclosed
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-08-04 — — US disclosed
US-20110144160-A1 Antagonists of Prostaglandin D2 Receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-06-16 — — US disclosed
US-20100004331-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-01-07 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120016029-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 LMNA 2277/4885HTT 4336/4885PDE4B 694/4885
US-20100004331-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 LMNA 2277/4885HTT 4336/4885PDE4B 694/4885
US-20110144160-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 LMNA 2277/4885HTT 4336/4885PDE4B 694/4885
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 LMNA 2161/4885HTT 4522/4885PDE4B 794/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.